SCHEMBL6637136

SCHEMBL6637136

Clc1ncccc1-c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
APEX1 P27695 1/20 0.50
PMP22 Q01453 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
CCR1 P32246 2/20 0.46
CCR8 P51685 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 3/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
IKBKE Q14164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2999658 0.78 KDM4E (0.58) MAPTCYP3A4MAPK1LMNAPMP22
SCHEMBL22015704 0.78 CYP3A4 (0.62) MAPTCYP3A4MAPK1LMNAALDH1A1
SCHEMBL3255665 0.78 BCHE (0.53) MAPTCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL29730423 0.78 CYP1A2 (0.50) MAPTCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL6637133 0.78 CYP1A2 (0.50) MAPTCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL1263795 0.78 TGFBR1 (0.49) MAPTCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL21033795 0.77 CYP2A6 (0.57) MAPTCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL17445467 0.76 MAPT (0.49) MAPTCYP3A4MAPK1LMNAAPEX1
SCHEMBL25302086 0.76 ALDH1A1 (0.59) MAPTCYP3A4MAPK1ALDH1A1KDM4E
SCHEMBL29350007 0.76 ALDH1A1 (0.59) MAPTCYP3A4MAPK1ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed
EP-1438048-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-07-21 EP disclosed
US-20030162968-A1 1,4-Disubstituted benzo-fused urea compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-28 US disclosed
WO-2003032989-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-04-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030162968-A1 1,4-Disubstituted benzo-fused urea compounds NFKBIA, MPO, RELA MAPT 2231/4885CYP3A4 174/4885MAPK1 2178/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.